N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[3-(4-morpholinylmethyl)phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide

Base Information

• Chemical Name: N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[3-(4-morpholinylmethyl)phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide
• CAS No.: 936091-56-4
• Molecular Formula: C₂₆H₃₄N₆O₃S
• Molecular Weight: 510.66
• DSSTox Substance ID: DTXSID00587366
• Wikidata: Q72470408
• Mol file: 936091-56-4.mol

Synonyms:936091-56-4;TG-89;N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[3-(4-morpholinylmethyl)phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide;JAK-IN-32;N-tert-Butyl-3-[[5-methyl-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;Benzenesulfonamide, N-(1,1-dimethylethyl)-3-[[5-methyl-2-[[3-(4-morpholinylmethyl)phenyl]amino]-4-pyrimidinyl]amino]-;N-(tert-Butyl)-3-((5-methyl-2-((3-(morpholinomethyl)phenyl)amino)pyrimidin-4-yl)amino)benzenesulfonamide;N-TERT-BUTYL-3-[(5-METHYL-2-{[3-(MORPHOLIN-4-YLMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]BENZENESULFONAMIDE;EX-8666;SCHEMBL266638;DTXSID00587366;BBL103534;LT0085;STL557344;AKOS005259273;NCGC00345845-01;NCGC00345845-02;AS-16251;HY-14986;N-tert-butyl-3-(5-methyl-2-(3-(morpholinomethyl)phenylamino)pyrimidin-4-ylamino)benzenesulfonamide;DB-079624;CS-0003679;A859717;J-523768;N-(tert-Butyl)-3-({5-methyl-2-[3-(4-morpholinylmethyl)anilino]-4-pyrimidinyl}amino)benzenesulfonamide;N-tert-Butyl-3-[(5-methyl-2-{3-[(morpholin-4-yl)methyl]anilino}pyrimidin-4-yl)amino]benzene-1-sulfonamide

Chemical Property of N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[3-(4-morpholinylmethyl)phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide

Chemical Property:

• Boiling Point: 686.9±65.0 °C(Predicted)
• PKA: 11.95±0.50(Predicted)
• PSA: 120.09000
• Density: 1.270
• LogP: 5.08570
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 510.24131014
• Heavy Atom Count: 36
• Complexity: 780

Purity/Quality:

97% ^*data from raw suppliers

TG-89 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=CC(=C3)CN4CCOCC4
• Uses: N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[3-(4-morpholinylmethyl)phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide is an inhibitor of JAK2.

Technology Process of N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[3-(4-morpholinylmethyl)phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide

There total 1 articles about N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[3-(4-morpholinylmethyl)phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-bromo-(N-tert-butyl)benzenesulfonamide (308283-47-8) + 5-methyl-N2-3-(3-(morpholinomethyl)phenyl)pyrimidine-2,4-diamine (936092-66-9) → N-tert-butyl-3-[5-methyl-2-(3-morpholin-4-ylmethyl-phenylamino)-pyrimidin-4-ylamino]-benzenesulfonamide (936091-56-4)

Guidance literature:

With caesium carbonate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; Heating / reflux;

upstream raw materials:

3-bromo-(N-tert-butyl)benzenesulfonamide

5-methyl-N₂-3-(3-(morpholinomethyl)phenyl)pyrimidine-2,4-diamine